| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:14 UTC |
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| Update Date | 2025-03-21 18:04:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053301 |
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| Frequency | 60.7 |
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| Structure | |
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| Chemical Formula | C14H18O9 |
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| Molecular Mass | 330.0951 |
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| SMILES | COc1cc(C(=O)O)ccc1OC1C(O)C(O)C(O)C(O)C1O |
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| InChI Key | VXLKTLUOAHTIME-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarboxylic acidscyclitols and derivativescyclohexanolshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxidebenzoic acidm-methoxybenzoic acid or derivativesalcoholcyclohexanolcyclitol or derivativescyclic alcoholmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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